N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide

C17H25ClN2O — CID 109021356

IUPACN-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide
SMILESO=C(CCNC1CCCCCC1)NCc1ccccc1Cl
InChIInChI=1S/C17H25ClN2O/c18-16-10-6-5-7-14(16)13-20-17(21)11-12-19-15-8-3-1-2-4-9-15/h5-7,10,15,19H,1-4,8-9,11-13H2,(H,20,21)
InChIKeyDKCXDKJTPOLTQS-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.66
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide

N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide (PubChem CID 109021356) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide
PubChem CID109021356
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide
SMILESO=C(CCNC1CCCCCC1)NCc1ccccc1Cl
InChIInChI=1S/C17H25ClN2O/c18-16-10-6-5-7-14(16)13-20-17(21)11-12-19-15-8-3-1-2-4-9-15/h5-7,10,15,19H,1-4,8-9,11-13H2,(H,20,21)
InChIKeyDKCXDKJTPOLTQS-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023192
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
N-[(2-chlorophenyl)methyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 1211157
3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116338
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844214
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide (CID 109021356) is N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide is O=C(CCNC1CCCCCC1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide?
The InChIKey is DKCXDKJTPOLTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c18-16-10-6-5-7-14(16)13-20-17(21)11-12-19-15-8-3-1-2-4-9-15/h5-7,10,15,19H,1-4,8-9,11-13H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide?
N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide has a molecular weight of 308.85 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(cycloheptylamino)propanamide is sourced from PubChem (CID 109021356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).